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Ligand

NameCHEMBL3233185
Molecular formulaC30H41N3O4S
IUPAC nameN-[(3S)-1-[(1S,2R,4R)-2-(ethylsulfonylmethyl)-4-[methyl(propan-2-yl)amino]cyclohexyl]-2-oxopyrrolidin-3-yl]-3-phenylbenzamide
Molecular weight539.735
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.3
SynonymsSCHEMBL3992030
BDBM50009218
Inchi KeyAVXGBMXCKBNWOV-PUHABZHSSA-N
Inchi IDInChI=1S/C30H41N3O4S/c1-5-38(36,37)20-25-19-26(32(4)21(2)3)14-15-28(25)33-17-16-27(30(33)35)31-29(34)24-13-9-12-23(18-24)22-10-7-6-8-11-22/h6-13,18,21,25-28H,5,14-17,19-20H2,1-4H3,(H,31,34)/t25-,26+,27-,28-/m0/s1
PubChem CID68867935
ChEMBLCHEMBL3233185
IUPHARN/A
BindingDB50009218
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15726C-C chemokine receptor type 2P41597CCR2Homo sapiens (Human)374

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